In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 26 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.58 | 7.69 | -57.02 | 1 | 6 | -1 | 82 | 350.446 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 7.82 | -14.41 | 2 | 6 | 0 | 84 | 351.454 | 3 | ↓ |